- InChI
- InChI=1S/C10H18O/c1-5-8(2)6-7-9-10(3,4)11-9/h5,8-9H,1,6-7H2,2-4H3
- InChI Key
- IQTYEDULQISSGT-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- C=CC(C)CCC1OC1(C)C
- Molecular Weight1
- 154.25
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 80.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.76 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 2.766 | Crippen Calculated Property | |
| McVol | 142.470 | ml/mol | McGowan Calculated Property |
| Pc | 2512.55 | kPa | Joback Calculated Property |
| Inp | [1076.00; 1076.00] |
|
|
| Inp | 1076.00 | NIST | |
| Inp | 1076.00 | NIST | |
| Tboil | 453.70 | K | Joback Calculated Property |
| Tc | 644.30 | K | Joback Calculated Property |
| Tfus | 249.87 | K | Joback Calculated Property |
| Vc | 0.545 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.19; 403.16] | J/mol×K | [453.70; 644.30] |
|
| Cp,gas | 318.19 | J/mol×K | 453.70 | Joback Calculated Property |
| Cp,gas | 334.68 | J/mol×K | 485.47 | Joback Calculated Property |
| Cp,gas | 350.12 | J/mol×K | 517.23 | Joback Calculated Property |
| Cp,gas | 364.59 | J/mol×K | 549.00 | Joback Calculated Property |
| Cp,gas | 378.19 | J/mol×K | 580.76 | Joback Calculated Property |
| Cp,gas | 391.01 | J/mol×K | 612.53 | Joback Calculated Property |
| Cp,gas | 403.16 | J/mol×K | 644.30 | Joback Calculated Property |
Similar Compounds
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Sources
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